trimethylsilyl 3,7,11,15-tetramethylhexadecanoate

C23H48O2Si — CID 594295

IUPACtrimethylsilyl 3,7,11,15-tetramethylhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H48O2Si/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-22(5)18-23(24)25-26(6,7)8/h19-22H,9-18H2,1-8H3
InChIKeyOHPFDZRPHVRQNT-UHFFFAOYSA-N
MW384.72 g/mol
LogP7.83
Rot. Bonds15

About trimethylsilyl 3,7,11,15-tetramethylhexadecanoate

trimethylsilyl 3,7,11,15-tetramethylhexadecanoate (PubChem CID 594295) has the molecular formula C23H48O2Si and a molecular weight of 384.72 g/mol. Its IUPAC name is trimethylsilyl 3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Nametrimethylsilyl 3,7,11,15-tetramethylhexadecanoate
PubChem CID594295
Molecular FormulaC23H48O2Si
Molecular Weight384.72 g/mol
Exact Mass384.34
IUPAC Nametrimethylsilyl 3,7,11,15-tetramethylhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C23H48O2Si/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-22(5)18-23(24)25-26(6,7)8/h19-22H,9-18H2,1-8H3
InChIKeyOHPFDZRPHVRQNT-UHFFFAOYSA-N
XLogP7.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.72
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze trimethylsilyl 3,7,11,15-tetramethylhexadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of trimethylsilyl 3,7,11,15-tetramethylhexadecanoate (CID 594295) is trimethylsilyl 3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for trimethylsilyl 3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for trimethylsilyl 3,7,11,15-tetramethylhexadecanoate is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 3,7,11,15-tetramethylhexadecanoate?
The InChIKey is OHPFDZRPHVRQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O2Si/c1-19(2)12-9-13-20(3)14-10-15-21(4)16-11-17-22(5)18-23(24)25-26(6,7)8/h19-22H,9-18H2,1-8H3.
What are the key properties of trimethylsilyl 3,7,11,15-tetramethylhexadecanoate?
trimethylsilyl 3,7,11,15-tetramethylhexadecanoate has a molecular weight of 384.72 g/mol, XLogP of 7.83, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 594295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).